CID 145915783

1872768-25-6

Structural Information

Molecular Formula
C10H17NOS
SMILES
CSCCC(=O)N1CCC(=C)CC1
InChI
InChI=1S/C10H17NOS/c1-9-3-6-11(7-4-9)10(12)5-8-13-2/h1,3-8H2,2H3
InChIKey
UBKGTARQYKTXDC-UHFFFAOYSA-N
Compound name
1-(4-methylidenepiperidin-1-yl)-3-methylsulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.10309 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.110366 145.0
[M+Na]+ 222.092308 150.3
[M-H]- 198.095814 146.4
[M+NH4]+ 217.136913 163.4
[M+K]+ 238.066248 147.7
[M+H-H2O]+ 182.100350 138.6
[M+HCOO]- 244.101291 157.9
[M+CH3COO]- 258.116941 183.5
[M+Na-2H]- 220.077756 144.6
[M]+ 199.10254142 143.4
[M]- 199.10363858 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.